General Information of the Compound
| Compound ID |
CP0468542
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| Compound Name |
5-[[(1S,2R)-2-aminocyclohexyl]amino]-7-(3-methoxyanilino)imidazo[1,2-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
COc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)c1
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| InChI |
InChI=1S/C20H25N7O2/c1-29-13-6-4-5-12(11-13)24-18-16(17(22)28)19-23-9-10-27(19)20(26-18)25-15-8-3-2-7-14(15)21/h4-6,9-11,14-15,24H,2-3,7-8,21H2,1H3,(H2,22,28)(H,25,26)/t14-,15+/m1/s1
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| InChIKey |
QTQUGUWDCMAQRW-CABCVRRESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01441, Tyrosine-protein kinase SYK
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70